CID 47667

65542-17-8

Structural Information

Molecular Formula
C16H17N3O2
SMILES
CC1=CC=C(C=C1)CN(C)N=NC2=CC=C(C=C2)C(=O)O
InChI
InChI=1S/C16H17N3O2/c1-12-3-5-13(6-4-12)11-19(2)18-17-15-9-7-14(8-10-15)16(20)21/h3-10H,11H2,1-2H3,(H,20,21)
InChIKey
UZYAHEMKIISOPE-UHFFFAOYSA-N
Compound name
4-[[methyl-[(4-methylphenyl)methyl]amino]diazenyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.13208 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.13936 165.4
[M+Na]+ 306.12130 171.1
[M-H]- 282.12480 174.8
[M+NH4]+ 301.16590 181.3
[M+K]+ 322.09524 169.5
[M+H-H2O]+ 266.12934 156.1
[M+HCOO]- 328.13028 193.9
[M+CH3COO]- 342.14593 213.9
[M+Na-2H]- 304.10675 170.5
[M]+ 283.13153 167.6
[M]- 283.13263 167.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.